WebMolecules.com - April Update

Frank Dellario frankd at webmolecules.com
Thu Apr 13 23:40:33 EST 2000


The April update of the award-winning site:

     ** WebMolecules.com **

is now online at http://www.webmolecules.com

Visualize Molecules
  - in full 3D
    - in real time
      - on the Web
        - for FREE!

New Features:
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- Another 25,000 molecular models have been added.
  We now have over 200,000 molecular models on-site.

- The molecular display interface (controls) have been refined.
  Tell us what you think. We're always looking for new ideas:
  newideas at webmolecules.com

- Extensive user controls have been added!

- NCI NSC numbers have been added as a Search 'keyword'
  Just enter the complete NSC number (no dashes). For info, see:
  http://www.webmolecules.com/searching.shtml#NSC

- Bookmarking of NCI NSC structures is also now supported.

- Search now uses exact formula matching to search the entire database
  and it also uses partial formula matching to look into the Top 2000.
  Search coverage/reach of the WebMolecules database:
  - Formula: 100%
  - CAS RN:  ~85% (not all NSC structures have been mapped to CAS)
  - NSC Num: ~99%
  - Name:     ~1% (only used to search the Top 2000)

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Molecule of the Month
--------------------------------------------------------------
Octanitrocubane

http://www.webmolecules.com/cgi-bin/webmolpage.cgi?octntrcb.m3d

Formula: C8 N8 O16       Weight: 464.132(1) g/mol

Wonderful! Amazing! It's something brand new.
A dense energetic, its certainly true!
Which means you must give it lots of clear room
'cause if you don't - Badda bing, badda BOOM!
(with apologies to Dr. Seuss)

First synthesized by Philip Eaton and Mao-Xi Zhang at the
University of Chicago in 1999 (with the structure proven by
crystallographer Richard Gilardi of NRL) as recently reported in
Angew. Chem. Int. Ed. 2000, 39 (2), 404 - 401

Provided they can synthesize it's most compact form,
it is expected to be as much as 30% more powerful than HMX,
the military's most powerful conventional explosive.

It appears to be quite stable, but current yields are too small
for large scale testing. And while current synthetic routes are
too impractical for mass production, new avenues are also being
explored.

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Suggestion Box
--------------------------------------------------------------
Is there a new feature you would like to see at WebMolecules?
Let us know at:
     newideas at webmolecules.com

Recent Upgrades and New Features
--------------------------------------------------------------
- The WebMolecules server/network completely upgraded.
- You can search the entire WebMolecules Library by formula.
- SEARCH can now accept formula strings with elements in any order.
- Email Models to Friends. Use the Email-a-Model link.
- 100's of large macro-structures have been added.
- New Visitor Uploads are available in Category 28.0
- Support for both Chime and VRML plug-ins
- For performance reasons, large molecules (>150 atoms)
  are available for the Chime viewer only.
- Mirror sites for the VRML plug-ins have been added. See:
  http://www.webmolecules.com/vrmlint.shtml
- Mirror sites for the Chime plug-in has been added. See:
  http://www.webmolecules.com/chimeint.shtml
- Resizable viewing window
- Support for uploads and model requests
- Improved support for bookmarks
- 3D coordinate downloads (M3D, MOL, PDB)

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WebMolecules.com is a FREE, sponsor-supported site.
Designed for the 3D visualization of molecules,
it contains over 200,000 molecular structures in 3D.

Thousands of common molecules are organized into 30+ categories.
Our ** TOP 2000 ** includes molecules of commercial value, educational
importance, and of topical interest. It is indexed by formula
and category and is also fully searchable.

Our TOP 2000 molecules include:
- Top 100 pollutants
- Top 100 commercial chemicals
- Top 200 pharmaceuticals
- Common valence geometries
- Common orbital configurations

WebMolecules.com is great for student and classroom use.

--------------------------------------------------------------
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Enjoy,

Frank Dellario mailto:frankd at webmolecules.com










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